# generated using pymatgen data_Sr4(RuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57647900 _cell_length_b 9.79350400 _cell_length_c 18.33263500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4(RuO4)3 _chemical_formula_sum 'Sr16 Ru12 O48' _cell_volume 1001.20513393 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.75000000 0.08492100 0.74841200 1.0 Sr Sr1 1 0.75000000 0.74920600 0.49300400 1.0 Sr Sr2 1 0.75000000 0.75079400 0.99300400 1.0 Sr Sr3 1 0.75000000 0.09858900 0.13750900 1.0 Sr Sr4 1 0.75000000 0.41507900 0.24841200 1.0 Sr Sr5 1 0.75000000 0.06528200 0.36530800 1.0 Sr Sr6 1 0.75000000 0.40141100 0.63750900 1.0 Sr Sr7 1 0.75000000 0.43471800 0.86530800 1.0 Sr Sr8 1 0.25000000 0.58492100 0.75158800 1.0 Sr Sr9 1 0.25000000 0.25079400 0.50699600 1.0 Sr Sr10 1 0.25000000 0.91507900 0.25158800 1.0 Sr Sr11 1 0.25000000 0.24920600 0.00699600 1.0 Sr Sr12 1 0.25000000 0.56528200 0.13469200 1.0 Sr Sr13 1 0.25000000 0.59858900 0.36249100 1.0 Sr Sr14 1 0.25000000 0.93471800 0.63469200 1.0 Sr Sr15 1 0.25000000 0.90141100 0.86249100 1.0 Ru Ru16 1 0.75000000 0.08502900 0.56283200 1.0 Ru Ru17 1 0.75000000 0.08283400 0.93718400 1.0 Ru Ru18 1 0.75000000 0.74933500 0.69290800 1.0 Ru Ru19 1 0.75000000 0.75066500 0.19290800 1.0 Ru Ru20 1 0.75000000 0.41497100 0.06283200 1.0 Ru Ru21 1 0.75000000 0.41716600 0.43718400 1.0 Ru Ru22 1 0.25000000 0.58283400 0.56281600 1.0 Ru Ru23 1 0.25000000 0.58502900 0.93716800 1.0 Ru Ru24 1 0.25000000 0.91716600 0.06281600 1.0 Ru Ru25 1 0.25000000 0.91497100 0.43716800 1.0 Ru Ru26 1 0.25000000 0.25066500 0.30709200 1.0 Ru Ru27 1 0.25000000 0.24933500 0.80709200 1.0 O O28 1 0.75000000 0.58160100 0.74161900 1.0 O O29 1 0.75000000 0.91617300 0.62401500 1.0 O O30 1 0.75000000 0.92761800 0.87805700 1.0 O O31 1 0.75000000 0.24853600 0.50262500 1.0 O O32 1 0.00000000 0.50000000 0.50000000 1.0 O O33 1 0.00000000 0.00000000 0.00000000 1.0 O O34 1 0.99181000 0.15874700 0.62192200 1.0 O O35 1 0.99181000 0.34125300 0.12192200 1.0 O O36 1 0.00003500 0.82940000 0.74406300 1.0 O O37 1 0.00003500 0.67060000 0.24406300 1.0 O O38 1 0.00819000 0.84125300 0.37807800 1.0 O O39 1 0.00819000 0.65874700 0.87807800 1.0 O O40 1 0.99843000 0.16867700 0.87847100 1.0 O O41 1 0.99843000 0.33132300 0.37847100 1.0 O O42 1 0.99996500 0.32940000 0.75593700 1.0 O O43 1 0.99996500 0.17060000 0.25593700 1.0 O O44 1 0.00157000 0.83132300 0.12152900 1.0 O O45 1 0.00157000 0.66867700 0.62152900 1.0 O O46 1 0.00000000 0.00000000 0.50000000 1.0 O O47 1 0.00000000 0.50000000 0.00000000 1.0 O O48 1 0.25000000 0.74853600 0.99737500 1.0 O O49 1 0.25000000 0.08382700 0.37598500 1.0 O O50 1 0.25000000 0.07238200 0.12194300 1.0 O O51 1 0.25000000 0.41839900 0.25838100 1.0 O O52 1 0.25000000 0.08160100 0.75838100 1.0 O O53 1 0.25000000 0.42761800 0.62194300 1.0 O O54 1 0.25000000 0.41617300 0.87598500 1.0 O O55 1 0.25000000 0.75146400 0.49737500 1.0 O O56 1 0.50000000 0.00000000 0.50000000 1.0 O O57 1 0.50000000 0.50000000 0.00000000 1.0 O O58 1 0.49843000 0.66867700 0.62152900 1.0 O O59 1 0.49843000 0.83132300 0.12152900 1.0 O O60 1 0.50003500 0.32940000 0.75593700 1.0 O O61 1 0.50003500 0.17060000 0.25593700 1.0 O O62 1 0.50157000 0.16867700 0.87847100 1.0 O O63 1 0.50157000 0.33132300 0.37847100 1.0 O O64 1 0.49181000 0.65874700 0.87807800 1.0 O O65 1 0.49181000 0.84125300 0.37807800 1.0 O O66 1 0.49996500 0.82940000 0.74406300 1.0 O O67 1 0.49996500 0.67060000 0.24406300 1.0 O O68 1 0.50819000 0.15874700 0.62192200 1.0 O O69 1 0.50819000 0.34125300 0.12192200 1.0 O O70 1 0.50000000 0.00000000 0.00000000 1.0 O O71 1 0.50000000 0.50000000 0.50000000 1.0 O O72 1 0.75000000 0.25146400 0.00262500 1.0 O O73 1 0.75000000 0.57238200 0.37805700 1.0 O O74 1 0.75000000 0.58382700 0.12401500 1.0 O O75 1 0.75000000 0.91839900 0.24161900 1.0